기본 정보
- 표준 SMILES
O=P([O-])([O-])O.[Ca+2]- InChIKey
FUFJGUQYACFECW-UHFFFAOYSA-L- 분자식
- CaHO4P
- 평균 분자량
- 136.06 g/mol
- 단동위원소 질량
- 135.92383612
개요
Calcium hydrogenphosphate is a calcium phosphate.
이름 및 식별자
- 우선 이름
- Calcium hydrogen phosphate
- IUPAC
- calcium hydrogen phosphate
- 현지명
- 디 칼슘 포스페이트
- 영어명
- Calcium phosphate dibasic
- 분자식
- CaHO4P
- 분자량
- 136.06
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7757-93-9- PubChem CID
- 24441
- DTXSID
DTXSID20872529- ChEMBL
CHEMBL2107567- ChEBI
CHEBI:32596- UNII
- L11K75P92J
- EC Number
- 231-826-1
- Nikkaji
- J43.741G
물성
구조 계산 물성
- 극성 표면적
- 83.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 46.5
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Dicalcium Phosphate) -> CIR (Cosmetic Ingredient Review)
Bulking; Opacifying; Abrasive
Food Additives
ANTICAKING AGENT OR FREE-FLOW AGENT, DOUGH STRENGTHENER, DRYING AGENT, EMULSIFIER OR EMULSIFIER SALT, HUMECTANT, LEAVENING AGENT, MASTICATORY SUBSTANCE, NUTRIENT SUPPLEMENT, PH CONTROL AGENT, STABILIZER OR THICKENER -> FDA Substance added to food
Density
2.89
Monoclinic crystals; density: 2.31 /Calcium hydrogen phosphate dihydrate, brushite/
Color/Form
Triclinic crystals
White crystalline powder
Solubility
Sparingly soluble in water. Insoluble in ethanol
Solubility: cold water 0.0316 g/100 cc @ 38 °C; hot water 0.075 g/100 cc @ 100 °C /Calcium hydrogen phosphate dihydrate/
Practically insol in water, alc
Sol in dil hydrochloric, nitric & acetic acids
Physical Description
Large Crystals; CBI; Dry Powder; Other Solid
White crystals or granules, granular powder or powder
Solid; Practically insoluble in water; [Merck Index] White powder; Insoluble in water; [MSDSonline]
물리화학적 성질
- 녹는점
- 370 °C · 370°C(decomposition)
- 밀도
- 2.306 · 2.306(16℃)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물과 에탄올(96%)에 거의 녹지 않습니다. 묽은염산과 묽은질산에 녹는다.
- 물리적 상태
- 젤형태(노화됨)
- 색상
- 하얀색
- 수소이온지수(pH)
- 7 · 7 (10g/l, H2O, 20°C) suspension
- 수용성
- 물에 거의 녹지 않으며 찬물에는 거의 녹지 않습니다.
- Merck
- 13 · 13,1697
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- 주요 응용
- 의약품(소분자)
- 화장품 원료 기능
- 불투명화구강 관리필러연마제
- InChI
- 1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
- InChIKey
- FUFJGUQYACFECW-UHFFFAOYSA-L
- SMILES
- [Ca++].OP([O-])([O-])=O
- LogP
- -2.148 · -2.148 (est)
- EPA
- Calcium hydrogen phosphate (7757-93-9)
화학적 성질
Anhydrous dibasic calcium phosphate is a white, odorless, tasteless powder or crystalline solid. It occurs as triclinic crystals.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 97.2% (455 of 468) of all reports.
Not Classified
Aggregated GHS information provided per 468 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Phosphoric acid, calcium salt (1:1)
Phosphoric acid, calcium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, calcium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 14-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15458
Calcium phosphate, dibasic: Non hazardous
FDA Requirements
Substances classified as stabilizers, when migrating from food-packaging material shall incl ... calcium hydrogen phosphate.
Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, andtribasic) used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/
Special Reports
Optimal Calcium Uptake. Current Bibliographies in Medicine 94-4. Public Services Division/National Library of Medicine. 775 citations from January, 1990-April, 1994. Available from: http://www.nlm.nih.gov/pubs/cbm/calcium.html
WHO; Diseases Caused by Phosphorus and Its Toxic Compounds; Early Detection of Occupational Diseases pg 53-62 (1986). Review of diseases and health related effects resulting from exposure to phosphorus or phosphorus cmpd.
FIFRA Requirements
Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. /Calcium phosphate/
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Allowable Tolerances
Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. /Calcium phosphate/
독성 정보
Toxicity Summary
The CIR Expert Panel concluded that the following 31 ingredients are safe in the present practices of use and concentration in cosmetics as described in this safety assessment, when formulated to be non-irritating...Dicalcium Phosphate...
Safe for use in cosmetics, with qualifications
RAIS Toxicity Values
48.6
PPRTV Archive
8
PPRTV Current
Acceptable Daily Intakes
FAO/WHO EXPERT COMMITTEE ON FOOD ADDITIVES...RECOMMENDED.../LEVELS/ FOR TOTAL DIETARY PHOSPHORUS...UNCONDITIONAL ACCEPTANCE LEVEL /OF LESS THAN 30 MG/KG BODY WT/ IS CONSIDERED SAFE IN ANY TYPE OF DIET...CONDITIONAL ACCEPTANCE LEVEL /OF 30-70 MG/KG BODY WT/ IS ACCEPTABLE ONLY WHEN DIETARY CALCIUM LEVEL IS HIGH /PHOSPHATES/
EPA Provisional Peer-Reviewed Toxicity Values
Dicalcium phosphate
8 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2021
규제 정보
FDA Requirements
Substances classified as stabilizers, when migrating from food-packaging material shall incl ... calcium hydrogen phosphate.
Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, andtribasic) used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/
FIFRA Requirements
Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. /Calcium phosphate/
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 독성
- LD50 orally in Rabbit: 10000 mg/kg LD50 dermal Rabbit > 7940 mg/kg
- HS 번호
- 2835 25 00
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25-22
- 기존화학 물질
- KE-10011KE-04554
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 7757-93-9(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
CIR ingredient: Dicalcium Phosphate
Used in powdered drink mixes (buffering agent), effervescent tablets, antacids, baking products (leavening agent), animal feeds, mineral supplements, dental products, medications (pelletizing aid and thickening agent), and fertilizers; Also used in the production of ceramics, plastics, and glass; [HSDB]
Glass Manufacturing [Category: Industry]
Ceramics making [Category: Hobbies]
Control acidity in powdered drink mixes, ingredient in effervescent tablets, as a plastics stabilizer, and in ceramics. Its single largest application is as a leavening agent in bread, cake mixes, and self-rising flour.
Chiefly in animal feeds; mineral supplement in cereals and other foods; manuf of glass; in dental products, fertilizers.
Methods of Manufacturing
... From calcium chloride & disodium phosphate; from tricalcium phosphate & phosphoric acid; where it is intermediate in prepn of hydroxyapatite.
Interaction of fluorine-free phosphoric acid with milk of lime.
Formulations/Preparations
GRADES: United States Pharmacopeia; "Food Chemicals Codex"; Dentrifice grade; Feed grade, 18.5 or 21% phosphorus.
DOSAGE FORMS: CALCIUM PHOSPHATE & VITAMIN D (SQUIBB): EACH TABLET CONTAINS DIBASIC CALCIUM PHOSPHATE 228 MG, CALCIUM CARBONATE 45 MG, & VITAMIN D 330 IU.
Anhydrous and monohydrate salt
Use Classification
Food additives
Food Additives -> FLOUR_TREATMENT_AGENT; YEAST_FOOD -> JECFA Functional Classes
Food Additives -> FLOUR_TREATMENT_AGENT; YEAST_FOOD -> JECFA Functional Classes
Food Additives -> FLOUR_TREATMENT_AGENT; YEAST_FOOD -> JECFA Functional Classes
Cosmetics -> Bulking; Opacifying; Abrasive
General Manufacturing Information
Agriculture, Forestry, Fishing and Hunting
Phosphoric acid, calcium salt (1:1): ACTIVE
... CAN INACTIVATE METALLIC IONS, WHICH ARE CAPABLE OF INTERFERING WITH NECESSARY FOOD-PROCESSING REACTIONS ... /INACTIVATION IS/ EITHER BY PPTN & REMOVING THEM FROM INTERFERENCE WITH DESIRED FOOD-PROCESSING REACTIONS OR BY COMPLEXING & MAINTAINING THEM IN SOL, BOUND STATE. /PHOSPHATES/
Because calcium hydrogen phosphate is incongruently soluble, it is typically contaminated with various amounts (6-10%) of dicalcium phosphate and free phosphorus acid resulting from in-process disproportionation of the monocalcium salt.
Since phosphorus acid impurity may render the product hygroscopic and absorbed water and acid catalyzes further disproportionation, excess lime may be added to industrial monocalcium phosphate to ensure removal of residual free phosphoric acid. Therefore the product may contain dicalcium phosphate.
... The hygroscopic nature of anhydrous monocalcium phosphate limited its commercial applications. However, the addition of small amounts of potassium (+1), sodium (+1), and aluminum (+3) ions to the crystallization mother liquor ... results ... glassy coating protects the calcium phosphate from moisture and greatly improves its handling properties and performance in several applications ...
응용 분야
용도Replenisher (calcium); pharmaceutic aid (tablet base).
제조 방법
생산 방법Calcium phosphates are usually prepared by reacting very pure phosphoric acid with calcium hydroxide, Ca(OH)2 obtained from limestone, in stoichiometric ratio in aqueous suspension followed by drying at a temperature that will allow the correct hydration state to be achieved. After drying, the coarse-grade material is obtained by means of a classification unit; the fine particle-size material is obtained by milling. Dibasic calcium phosphate, anhydrous, may also be prepared by spray-drying.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
순도시험(1) 비소 : 이 품목을 비소시험법에 따라 시험할 때, 그 양은 4.0ppm 이하이어야 한다. (2) 납 : 「메타인산나트륨」의 순도시험 (2)에 따라 시험한다(4.0ppm 이하). (3) 카드뮴 : 「메타인산나트륨」의 순도시험 (3)에 따라 시험한다(1.0ppm 이하). (4) 수은 : 이 품목을 수은시험법에 따라 시험할 때, 그 양은 1.0ppm 이하이어야 한다. (5) 불소화물 : 이 품목 1g을 정밀히 달아 「구연산칼슘」의 순도시험 (8)에 따라 시험한다(50ppm 이하).
확인시험(1) 이 품목을 질산은시액으로 적시면 황색을 나타낸다. (2) 이 품목 0.1g에 초산 5mL를 가하여 끓이고 식힌 다음 여과하여 여액에 수산암모늄시액 5mL를 가할 때, 백색의 침전이 생긴다.
정량법이 품목을 건조한 다음 약 0.3g을 정밀히 달아 묽은염산 10mL에 녹여 물을 가하여 120mL로 한다. 이하「제일인산칼슘」의 정량법에 따라 정량한다.0.1N 과망간산칼륨용액 1mL = 6.803mg CaHPO4
관련 반응
연결된 노트
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